N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine

C17H37N3 — CID 62554564

IUPACN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCN1CCC(CN(C)C)CC1
InChIInChI=1S/C17H37N3/c1-15(2)6-7-16(3)18-10-13-20-11-8-17(9-12-20)14-19(4)5/h15-18H,6-14H2,1-5H3
InChIKeyVUFXERURBUBDNO-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.67
Rot. Bonds9

About N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine

N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine (PubChem CID 62554564) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine
PubChem CID62554564
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCN1CCC(CN(C)C)CC1
InChIInChI=1S/C17H37N3/c1-15(2)6-7-16(3)18-10-13-20-11-8-17(9-12-20)14-19(4)5/h15-18H,6-14H2,1-5H3
InChIKeyVUFXERURBUBDNO-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(pentan-2-ylamino)ethyl]piperidin-4-yl]methanol
CID 115718460
N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine
CID 62559487
N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62561284
N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167950
N'-methyl-N-(5-methylhexan-2-yl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560698
1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 104872007
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine
CID 62554395
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine
CID 106799572
N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
CID 62561816
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]pentan-2-amine
CID 62776170

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine (CID 62554564) is N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCCN1CCC(CN(C)C)CC1.
What is the InChIKey of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine?
The InChIKey is VUFXERURBUBDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-15(2)6-7-16(3)18-10-13-20-11-8-17(9-12-20)14-19(4)5/h15-18H,6-14H2,1-5H3.
What are the key properties of N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine?
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 62554564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).